Basic information
- Standard SMILES
C=C(CC)C(=O)c1ccc(OC2(C(=O)NCCC(=O)O)CCC2)c(Cl)c1Cl- InChIKey
ZZRQXVNQQWKMLI-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2NO5
- Average molar mass
- 414.3 g/mol
- Monoisotopic mass
- 413.0796782
Names & identifiers
- Preferred name
- N-{1-[2,3-dichloro-4-(2-methylenebutyryl)phenoxy]cyclobutane-1-carbonyl}3-aminopropionic acid
- IUPAC
- 3-[[1-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]cyclobutanecarbonyl]amino]propanoic acid
Names & synonyms
SCHEMBL9717588ZZRQXVNQQWKMLI-UHFFFAOYSA-NN-{1-[2,3-dichloro-4-(2-methylenebutyryl)phenoxy]cyclobutane-1-carbonyl}3-aminopropionic acid
Database identifiers
- PubChem CID
- 20165205
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
Related reactions
2 records
Compound notes
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